UCSF

ZINC13281682

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 7.77 -24.93 1 4 0 47 208.29 3
Mid Mid (pH 6-8) 1.12 8.24 -66.05 2 4 1 48 209.298 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )